4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide

C16H15ClINO3 — CID 91682374

IUPAC4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide
SMILESCCOc1cc(C(N)=O)cc(I)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClINO3/c1-2-21-14-8-11(16(19)20)7-13(18)15(14)22-9-10-3-5-12(17)6-4-10/h3-8H,2,9H2,1H3,(H2,19,20)
InChIKeyKPEBHGPTZNDGTH-UHFFFAOYSA-N
MW431.66 g/mol
LogP4.02
Rot. Bonds6

About 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide

4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide (PubChem CID 91682374) has the molecular formula C16H15ClINO3 and a molecular weight of 431.66 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide
PubChem CID91682374
Molecular FormulaC16H15ClINO3
Molecular Weight431.66 g/mol
Exact Mass430.98
IUPAC Name4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide
SMILESCCOc1cc(C(N)=O)cc(I)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClINO3/c1-2-21-14-8-11(16(19)20)7-13(18)15(14)22-9-10-3-5-12(17)6-4-10/h3-8H,2,9H2,1H3,(H2,19,20)
InChIKeyKPEBHGPTZNDGTH-UHFFFAOYSA-N
XLogP4.02
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.66
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-3-iodo-5-phenylmethoxybenzamide
CID 1008050
ethyl 3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]benzoate
CID 91682320
3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]benzoyl chloride
CID 91682361
3-ethoxy-5-iodo-4-phenylmethoxybenzoyl chloride
CID 91682355
[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]thiourea
CID 5026063
3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzenecarbothioamide
CID 22679888
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126325701
5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole
CID 132592973
4-ethoxy-3,5-diiodobenzamide
CID 24834347
3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 8706924
methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682250
(E)-2-acetamido-3-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]prop-2-enoic acid
CID 6209660

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide (CID 91682374) is 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide is CCOc1cc(C(N)=O)cc(I)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide?
The InChIKey is KPEBHGPTZNDGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClINO3/c1-2-21-14-8-11(16(19)20)7-13(18)15(14)22-9-10-3-5-12(17)6-4-10/h3-8H,2,9H2,1H3,(H2,19,20).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide?
4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide has a molecular weight of 431.66 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodobenzamide is sourced from PubChem (CID 91682374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).